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5-fluoranyl-2-nitro-4-(trifluoromethyl)aniline; methylphosphonic acid

5-fluoranyl-2-nitro-4-(trifluoromethyl)aniline; methylphosphonic acid

Systemtic Name:5-fluoranyl-2-nitro-4-(trifluoromethyl)aniline; methylphosphonic acid
Openeye Name:5-fluoro-2-nitro-4-(trifluoromethyl)aniline; methylphosphonic acid
CAS Name:5-fluoro-2-nitro-4-(trifluoromethyl)aniline; methylphosphonic acid
IUPAC Name:5-fluoro-2-nitro-4-(trifluoromethyl)aniline; methylphosphonic acid
Traditional Name:[5-fluoro-2-nitro-4-(trifluoromethyl)phenyl]amine; methylphosphonic acid
Formula: C8H9F4N2O5P
MolecularWeight: 320.134834
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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(O)O.C1=C(C(=CC(=C1[N+](=O)[O-])N)F)C(F)(F)F


Isomeric SMILES

CP(=O)(O)O.C1=C(C(=CC(=C1[N+](=O)[O-])N)F)C(F)(F)F


InChI

InChI=1S/C7H4F4N2O2.CH5O3P/c8-4-2-5(12)6(13(14)15)1-3(4)7(9,10)11;1-5(2,3)4/h1-2H,12H2;1H3,(H2,2,3,4)


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